| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 1st, 2009 | 14 | No |
Popular Name: Maleic acid, mono(4-methylpiperazide) Maleic acid, mono(4-methylpipera…
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CAS Numbers: 42574-70-9 , [42574-70-9]
4-(4-methyl-1-piperazinyl)-4-oxo-2-butenoic acid
cis-4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.68 | 5.62 | -79.21 | 1 | 5 | 0 | 65 | 198.222 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.68 | 3.27 | -57.07 | 0 | 5 | -1 | 64 | 197.214 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 195-196° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
